Basic information
- CAS
51410-45-8- Standard SMILES
COc1ccc(CC2CO2)cc1- InChIKey
CLOGCPPDCZMWGQ-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-((4-Methoxyphenyl)methyl)oxirane
- IUPAC
- 2-[(4-methoxyphenyl)methyl]oxirane
- English name
- estragole-2',3'-oxide
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2-[(4-methoxyphenyl)methyl]oxirane51410-45-8Estragole-2',3'-oxide((4-Methoxyphenyl)methyl)oxiraneDTXSID809657247K4661R4JM2-((4-Methoxyphenyl)methyl)oxiraneestragole 2',3'-epoxideRefChem:909000DTXCID801393387p-Methoxyphenylpropylene oxide2-(4-METHOXYBENZYL)OXIRANE
Show more names
23EPOXYESTRAGOL2-[(4-Methoxyphenyl)methoxy]ethane
Estragole oxideOxirane, 2-[(4-methoxyphenyl)methyl]-MFCD008698403-(p-methoxyphenyl)propylene-1,2-oxideEstragole 2',3'-oxidep-(2,3-Epoxypropyl)anisoleCCRIS 11402',3'-Epoxyestragol [French]
Database identifiers
- CAS
51410-45-8- PubChem CID
- 40004
- DTXSID
DTXSID80965724- UNII
- 7K4661R4JM
- Nikkaji
- J767.375B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 150 · 150-160 °C(Press: 10 Torr)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 7 K4661R4JM · 7K4661R4JM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都市佳和彬科技有限公司028-61186694 15608078506 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司
Related reactions
4 records
Compound notes
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